SCHEMBL20008530

SCHEMBL20008530

C=C(Nc1cnc(C)c(C(/C=C(\C)NCCC)=C/C(=C)N2CCCCC2)c1)c1ccnc(C(F)(F)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 20/20 0.38
BRAF P15056 18/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20008599 0.75 BRAF (0.41) RAF1BRAF
SCHEMBL20008759 0.69 RAF1 (0.43) RAF1BRAF
SCHEMBL20009576 0.66 RAF1 (0.40) RAF1BRAF
SCHEMBL20008497 0.66 BRAF (0.45) RAF1BRAF
SCHEMBL20008243 0.65 BRAF (0.44) RAF1BRAF
SCHEMBL20008137 0.62 PIK3C3 (0.31)
SCHEMBL20008357 0.62 RAF1 (0.55) RAF1BRAF
SCHEMBL20008251 0.61 PIK3C3 (0.40) RAF1BRAF
SCHEMBL20009155 0.60 RAF1 (0.48) RAF1BRAF
SCHEMBL20008376 0.60 RAF1 (0.42) RAF1BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed